N4-(5-chloranyl-2-methyl-phenyl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2-methyl-phenyl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-methyl-phenyl)-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methylphenyl)-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2-methylphenyl)-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-isoamyl-amine Formula: C16H20ClN5O2 MolecularWeight: 349.8153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20ClN5O2/c1-10(2)6-7-18-15-14(22(23)24)16(20-9-19-15)21-13-8-12(17)5-4-11(13)3/h4-5,8-10H,6-7H2,1-3H3,(H2,18,19,20,21)